N,N-dipropylbenzenesulfonamide;dihydrochloride

C12H21Cl2NO2S — CID 142038428

IUPACN,N-dipropylbenzenesulfonamide;dihydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccccc1.Cl.Cl
InChIInChI=1S/C12H19NO2S.2ClH/c1-3-10-13(11-4-2)16(14,15)12-8-6-5-7-9-12;;/h5-9H,3-4,10-11H2,1-2H3;2*1H
InChIKeyCUHMFEUFYJVXMP-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.34
Rot. Bonds6

About N,N-dipropylbenzenesulfonamide;dihydrochloride

N,N-dipropylbenzenesulfonamide;dihydrochloride (PubChem CID 142038428) has the molecular formula C12H21Cl2NO2S and a molecular weight of 314.28 g/mol. Its IUPAC name is N,N-dipropylbenzenesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN,N-dipropylbenzenesulfonamide;dihydrochloride
PubChem CID142038428
Molecular FormulaC12H21Cl2NO2S
Molecular Weight314.28 g/mol
Exact Mass313.07
IUPAC NameN,N-dipropylbenzenesulfonamide;dihydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccccc1.Cl.Cl
InChIInChI=1S/C12H19NO2S.2ClH/c1-3-10-13(11-4-2)16(14,15)12-8-6-5-7-9-12;;/h5-9H,3-4,10-11H2,1-2H3;2*1H
InChIKeyCUHMFEUFYJVXMP-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropylbenzenesulfonamide
CID 4053954
4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
CID 1213371
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
3-[benzenesulfonyl-[2-[benzenesulfonyl(2-carboxyethyl)amino]ethyl]amino]propanoic acid
CID 21496766
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50775970
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999
benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
4-(dipropylsulfamoyl)benzoic acid;styrene
CID 70464418
N-benzyl-N-ethylbenzenesulfonamide
CID 668950

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylbenzenesulfonamide;dihydrochloride?
The IUPAC name of N,N-dipropylbenzenesulfonamide;dihydrochloride (CID 142038428) is N,N-dipropylbenzenesulfonamide;dihydrochloride.
What is the SMILES notation for N,N-dipropylbenzenesulfonamide;dihydrochloride?
The canonical SMILES for N,N-dipropylbenzenesulfonamide;dihydrochloride is CCCN(CCC)S(=O)(=O)c1ccccc1.Cl.Cl.
What is the InChIKey of N,N-dipropylbenzenesulfonamide;dihydrochloride?
The InChIKey is CUHMFEUFYJVXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S.2ClH/c1-3-10-13(11-4-2)16(14,15)12-8-6-5-7-9-12;;/h5-9H,3-4,10-11H2,1-2H3;2*1H.
What are the key properties of N,N-dipropylbenzenesulfonamide;dihydrochloride?
N,N-dipropylbenzenesulfonamide;dihydrochloride has a molecular weight of 314.28 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylbenzenesulfonamide;dihydrochloride is sourced from PubChem (CID 142038428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).